A New Solvation Model for Polymers and Surfaces – Accurate Prediction of the Thermodynamic Properties of Mixtures
A New Solvation Model for Polymers and Surfaces – Accurate Prediction of the Thermodynamic Properties of Mixtures
2 Pagesaccelrys.com CASE STUDY 1 Industry sectors • Chemicals • Petrochemicals • Pharmaceuticals Organization • P aul S cher r er I nstitut e , S witz er land A New SOlv AtION MOdel fOr POly MerS ANd Surf AceS – Accur Ate PredIctION Of the therMOdy NAMIc PrOPertIeS Of MIxtureS The new solvation model which employs continuous solvent accessible surfaces also works for solid materials with internal surfaces and proves useful for calculations su
